Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50012053
Substrate
n/a
Meas. Tech.
ChEBML_209797
IC50
1360±n/a nM
Citation
 Marsham, PR; Hughes, LR; Jackman, AL; Hayter, AJ; Oldfield, J; Wardleworth, JM; Bishop, JA; O'Connor, BM; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: heterocyclic benzoyl ring modifications. J Med Chem 34:1594-605 (1991) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mouse
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50012053
Synonyms:
2-({5-[(2-Hydroxymethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-methyl-amino]-thiophene-2-carbonyl}-amino)-pentanedioic acid | CHEMBL41424
Type:
Small organic molecule
Emp. Form.:
C21H22N4O7S
Mol. Mass.:
474.487
SMILES:
CN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@H](CCC(O)=O)C(O)=O
Structure:
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